%chk=000115262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115262

0 1
 O    3.273100       3.008200      8.5000005E-03
 O    1.591600       2.823600      -1.504400    
 O  -0.7480000      0.8432000       2.142000    
 O    3.864100      -2.481900      -1.434700    
 O    4.035700      -2.147300      0.8028000    
 O   -1.614600      -2.959300     -0.5942000    
 O  -0.6781000      -1.938100       1.207800    
 N   0.2122000       1.119800      4.8900001E-02
 C    1.533900       1.459100      0.5121000    
 C    2.424400      0.2275000      0.7160000    
 C    2.717400     -0.6009000     -0.5414000    
 C    2.109600       2.477200     -0.4506000    
 C  -0.8335000      0.8360000      0.9167000    
 C   -2.127800      0.4780000      0.2815000    
 C   -2.419000     -0.8391000     -1.1200000E-02
 C    3.589300      -1.811100     -0.2852000    
 C   -3.010600       1.503300      2.6000000E-03
 C   -3.642800      -1.144600     -0.6068000    
 C   -4.234300       1.197700     -0.5933000    
 C   -4.550300     -0.1261000     -0.8980000    
 C   -1.492400      -1.925000      0.2808000    
 H    1.420000       1.971400       1.476200    
 H    1.958900     -0.4275000       1.464400    
 H    3.381100      0.5465000       1.150100    
 H    3.229000      2.4700001E-02  -1.281000    
 H    1.776700     -0.9593000     -0.9738000    
 H   4.8700001E-02   1.062200     -0.9528000    
 H   -2.771400       2.536500      0.2375000    
 H   -3.925300      -2.166900     -0.8445000    
 H   -4.941400       1.990600     -0.8191000    
 H   -5.504500     -0.3640000      -1.359000    
 H    3.636800       3.679100     -0.6079000    
 H    4.443800      -3.257100      -1.275500    
 H  -0.9874000      -3.685700     -0.3906000    


%chk=000115262-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115262

0 1
O 3.376324 3.094109 0.001021
O 1.760878 2.777681 -1.637174
O -0.505829 0.367957 2.038068
O 3.891930 -2.427410 -1.290205
O 4.180539 -1.961006 0.964693
O -2.157708 -3.342452 -0.250632
O -0.267958 -2.010262 -0.115891
N 0.236704 1.233468 0.010851
C 1.564750 1.593293 0.525214
C 2.479838 0.362058 0.816201
C 2.684753 -0.540186 -0.413643
C 2.202551 2.534364 -0.489716
C -0.701760 0.618996 0.809302
C -2.044067 0.349844 0.149058
C -2.477619 -0.959805 -0.212737
C 3.644611 -1.674522 -0.128020
C -2.950483 1.429351 0.029286
C -3.807137 -1.166322 -0.663484
C -4.268447 1.220217 -0.435826
C -4.700518 -0.081934 -0.776189
C -1.518526 -2.097713 -0.176877
H 1.446831 2.134453 1.483973
H 2.001989 -0.213272 1.626238
H 3.446863 0.732822 1.198485
H 3.071851 0.015244 -1.290016
H 1.721213 -0.987838 -0.722046
H 0.050536 1.420029 -0.979653
H -2.627363 2.434387 0.321104
H -4.120150 -2.179613 -0.928644
H -4.955414 2.068918 -0.522268
H -5.723469 -0.249469 -1.128576
H 3.783159 3.685796 -0.688443
H 4.513412 -3.171862 -1.063823
H -1.467384 -4.058621 -0.235732


